2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid

C25H17F3N2O2 — CID 11004574

IUPAC2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H17F3N2O2/c26-25(27,28)19-5-3-6-20(13-19)30-14-18(12-23(31)32)24(29-30)16-8-9-22-17(11-16)10-15-4-1-2-7-21(15)22/h1-9,11,13-14H,10,12H2,(H,31,32)
InChIKeyCPCXOYACNZUSDM-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.76
Rot. Bonds4

About 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid

2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid (PubChem CID 11004574) has the molecular formula C25H17F3N2O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
PubChem CID11004574
Molecular FormulaC25H17F3N2O2
Molecular Weight434.42 g/mol
Exact Mass434.12
IUPAC Name2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H17F3N2O2/c26-25(27,28)19-5-3-6-20(13-19)30-14-18(12-23(31)32)24(29-30)16-8-9-22-17(11-16)10-15-4-1-2-7-21(15)22/h1-9,11,13-14H,10,12H2,(H,31,32)
InChIKeyCPCXOYACNZUSDM-UHFFFAOYSA-N
XLogP5.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid (CID 11004574) is 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid is O=C(O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid?
The InChIKey is CPCXOYACNZUSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O2/c26-25(27,28)19-5-3-6-20(13-19)30-14-18(12-23(31)32)24(29-30)16-8-9-22-17(11-16)10-15-4-1-2-7-21(15)22/h1-9,11,13-14H,10,12H2,(H,31,32).
What are the key properties of 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid?
2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid has a molecular weight of 434.42 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 11004574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).